N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

C19H18N2O4 — CID 75374644

IUPACN-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)no1
InChIInChI=1S/C19H18N2O4/c1-24-12-17-10-18(21-25-17)19(23)20-11-13-2-4-14(5-3-13)15-6-8-16(22)9-7-15/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyLJYMRFDNCIGDJD-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.12
Rot. Bonds6

About N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide

N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 75374644) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID75374644
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
SMILESCOCc1cc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)no1
InChIInChI=1S/C19H18N2O4/c1-24-12-17-10-18(21-25-17)19(23)20-11-13-2-4-14(5-3-13)15-6-8-16(22)9-7-15/h2-10,22H,11-12H2,1H3,(H,20,23)
InChIKeyLJYMRFDNCIGDJD-UHFFFAOYSA-N
XLogP3.12
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide (CID 75374644) is N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is COCc1cc(C(=O)NCc2ccc(-c3ccc(O)cc3)cc2)no1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LJYMRFDNCIGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-12-17-10-18(21-25-17)19(23)20-11-13-2-4-14(5-3-13)15-6-8-16(22)9-7-15/h2-10,22H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide?
N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)phenyl]methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75374644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).